#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a2y n THR 2 N 0.00 0.00 0.14 2.03 -1.04 -1.25 -5.01 114.28 109.15 2a2y n THR 2 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 2a2y n THR 2 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 2a2y n THR 2 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2a2y h GLU 3 N 0.00 -0.41 -2.38 -2.82 4.39 -1.94 -3.35 114.58 108.06 2a2y h GLU 3 Ca 0.00 0.03 -0.70 0.00 0.34 0.00 0.00 59.36 59.02 2a2y h GLU 3 Cb 0.00 0.09 -0.34 0.00 -0.10 0.00 0.00 28.75 28.40 2a2y h GLU 3 CO 0.00 -0.12 0.18 0.36 -1.16 0.00 0.00 179.01 178.27 2a2y n LYS 4 N -5.07 4.07 -3.51 2.33 0.00 -1.26 -3.34 118.16 111.38 2a2y n LYS 4 Ca -0.08 -4.71 -0.11 0.00 -0.00 0.00 0.00 58.31 53.41 2a2y n LYS 4 Cb 0.25 -2.37 -0.03 0.00 -0.00 0.00 0.00 35.03 32.87 2a2y n LYS 4 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2a2y s LEU 5 N -3.44 -0.45 0.00 -5.58 2.96 -1.26 -4.55 118.68 106.36 2a2y s LEU 5 Ca 0.41 0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.52 2a2y s LEU 5 Cb 0.18 2.18 0.00 0.00 0.50 0.00 0.00 46.19 49.06 2a2y s LEU 5 CO -0.06 -0.63 0.00 -3.20 -1.32 0.00 0.00 176.35 171.14 2a2y n ASN 6 N 0.12 0.00 -4.61 3.68 5.15 -1.13 -3.88 115.26 114.58 2a2y n ASN 6 Ca -0.12 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.45 2a2y n ASN 6 Cb 0.61 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.79 2a2y n ASN 6 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 2a2y s GLU 7 N 0.00 4.02 0.04 1.20 -1.05 -1.26 -1.46 118.70 120.19 2a2y s GLU 7 Ca 0.00 0.35 0.05 0.00 -0.15 0.00 0.00 54.97 55.22 2a2y s GLU 7 Cb 0.00 -3.68 -0.02 0.00 -0.44 0.00 0.00 34.13 29.99 2a2y s GLU 7 CO 0.00 -0.43 -0.14 0.42 0.95 0.00 0.00 175.26 176.05 2a2y s ILE 8 N 2.43 1.15 -0.16 1.83 1.01 0.14 -4.91 121.20 122.69 2a2y s ILE 8 Ca 0.23 -1.03 -0.04 0.00 0.00 0.00 0.00 60.65 59.80 2a2y s ILE 8 Cb -0.15 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 2a2y s ILE 8 CO 0.10 0.00 -0.02 -0.69 0.00 0.00 0.00 174.94 174.33 2a2y s VAL 9 N -0.88 4.08 0.51 2.92 1.01 -1.26 -1.92 120.40 124.86 2a2y s VAL 9 Ca 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 2a2y s VAL 9 Cb -0.08 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 2a2y s VAL 9 CO 0.01 0.49 0.80 0.54 0.00 0.00 0.00 175.10 176.94 2a2y s VAL 10 N 0.32 4.19 0.31 2.92 0.11 0.33 -4.83 120.40 123.75 2a2y s VAL 10 Ca -0.02 -0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.00 2a2y s VAL 10 Cb -0.14 -3.61 -0.04 0.00 -1.53 0.00 0.00 36.38 31.07 2a2y s VAL 10 CO 0.02 -0.56 0.17 -0.13 -3.33 0.00 0.00 175.10 171.27 2a2y s ARG 11 N -4.79 1.61 -0.01 1.54 0.52 -1.26 -4.70 118.95 111.87 2a2y s ARG 11 Ca 0.50 -1.92 0.19 0.00 -0.52 0.00 0.00 55.73 53.98 2a2y s ARG 11 Cb -0.10 -0.05 -0.23 0.00 0.52 0.00 0.00 34.95 35.08 2a2y s ARG 11 CO 0.43 -0.47 0.72 0.36 0.02 0.00 0.00 175.30 176.36 2a2y n LYS 12 N -0.59 0.65 0.08 3.54 -0.00 -1.26 -4.16 118.16 116.42 2a2y n LYS 12 Ca 0.02 -0.04 0.12 0.00 -0.00 0.00 0.00 58.31 58.40 2a2y n LYS 12 Cb 0.65 -1.42 0.21 0.00 -0.00 0.00 0.00 35.03 34.47 2a2y n LYS 12 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 2a2y h THR 13 N 0.00 0.00 0.00 0.58 1.35 -2.01 -3.44 112.91 109.39 2a2y h THR 13 Ca 0.00 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 2a2y h THR 13 Cb 0.56 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2a2y h THR 13 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 2a2y n LYS 14 N -2.21 0.00 -3.67 4.72 4.76 -1.26 -5.14 118.16 115.35 2a2y n LYS 14 Ca 0.04 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.43 2a2y n LYS 14 Cb 0.45 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.62 2a2y n LYS 14 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2a2y s ASN 15 N -1.00 -0.22 0.36 4.39 -0.87 -1.26 -4.94 114.94 111.40 2a2y s ASN 15 Ca 0.00 -0.27 0.12 0.00 -1.57 0.00 0.00 52.86 51.14 2a2y s ASN 15 Cb 0.00 0.43 0.67 0.00 -0.02 0.00 0.00 41.25 42.33 2a2y s ASN 15 CO 0.00 -0.78 1.80 -0.37 -2.57 0.00 0.00 177.10 175.18 2a2y h VAL 16 N 2.00 1.29 0.18 1.60 -1.51 -1.92 -2.72 116.25 115.17 2a2y h VAL 16 Ca -0.24 -1.38 -0.30 0.00 -1.23 0.00 0.00 66.70 63.55 2a2y h VAL 16 Cb 1.23 1.74 0.02 0.00 -2.13 0.00 0.00 31.29 32.15 2a2y h VAL 16 CO 0.27 0.40 -1.33 1.05 -1.23 0.00 0.00 177.57 176.72 2a2y h GLU 17 N 0.01 0.45 -0.44 5.19 4.11 -1.96 -2.39 114.58 119.54 2a2y h GLU 17 Ca -0.00 -0.72 0.05 0.00 0.07 0.00 0.00 59.36 58.76 2a2y h GLU 17 Cb 0.71 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 2a2y h GLU 17 CO 0.05 1.34 0.30 -0.44 0.07 0.00 0.00 179.01 180.32 2a2y h ASP 18 N 0.14 0.35 0.70 3.06 3.32 -1.85 0.33 116.42 122.47 2a2y h ASP 18 Ca -0.19 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2a2y h ASP 18 Cb 2.03 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 41.50 2a2y h ASP 18 CO 0.24 0.24 -0.99 1.41 -1.72 0.00 0.00 179.24 178.42 2a2y n HIS 19 N -4.48 0.56 0.08 4.55 8.25 -1.13 -2.18 115.22 120.87 2a2y n HIS 19 Ca 0.05 0.16 -0.09 0.00 -0.26 0.00 0.00 57.72 57.59 2a2y n HIS 19 Cb 0.21 -0.67 -0.02 0.00 1.12 0.00 0.00 29.99 30.63 2a2y n HIS 19 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2a2y h VAL 20 N 0.00 1.51 0.30 1.59 3.04 -0.62 -0.43 116.25 121.65 2a2y h VAL 20 Ca 0.00 -2.70 -0.01 0.00 -1.01 0.00 0.00 66.70 62.98 2a2y h VAL 20 Cb 0.84 2.52 0.00 0.00 -2.01 0.00 0.00 31.29 32.65 2a2y h VAL 20 CO 0.00 0.78 -0.15 -0.07 -1.01 0.00 0.00 177.57 177.13 2a2y h LEU 21 N 0.10 -0.34 -1.71 3.16 3.38 -0.45 -1.39 115.31 118.05 2a2y h LEU 21 Ca -0.05 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 2a2y h LEU 21 Cb 1.55 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 2a2y h LEU 21 CO 0.14 0.11 -0.18 -0.78 0.09 0.00 0.00 178.44 177.82 2a2y h ASP 22 N -0.92 0.00 0.01 -0.43 1.82 -1.50 -1.53 116.42 113.87 2a2y h ASP 22 Ca -0.04 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.60 2a2y h ASP 22 Cb 0.51 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.52 2a2y h ASP 22 CO 0.07 0.18 -0.00 0.58 -1.61 0.00 0.00 179.24 178.45 2a2y h VAL 23 N 0.00 1.49 0.00 2.25 2.07 -1.06 -2.55 116.25 118.46 2a2y h VAL 23 Ca -0.00 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 65.98 2a2y h VAL 23 Cb 0.38 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2a2y h VAL 23 CO 0.02 0.39 0.00 -0.29 0.02 0.00 0.00 177.57 177.72 2a2y h ILE 24 N -0.67 0.00 -0.03 4.57 2.10 -1.06 -1.95 117.51 120.46 2a2y h ILE 24 Ca -0.00 -0.18 -0.14 0.00 1.08 0.00 0.00 64.86 65.62 2a2y h ILE 24 Cb 0.65 1.04 0.01 0.00 -1.09 0.00 0.00 36.82 37.43 2a2y h ILE 24 CO 0.00 0.00 -0.51 0.58 -1.08 0.00 0.00 178.15 177.14 2a2y h VAL 25 N 0.00 1.42 -0.11 2.19 2.07 -1.10 -3.00 116.25 117.72 2a2y h VAL 25 Ca 0.00 -1.96 -0.08 0.00 0.82 0.00 0.00 66.70 65.48 2a2y h VAL 25 Cb 0.20 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 2a2y h VAL 25 CO 0.00 0.57 -0.31 -0.07 0.02 0.00 0.00 177.57 177.78 2a2y h LEU 26 N -0.10 0.21 -1.84 2.57 3.38 -0.95 -1.15 115.31 117.42 2a2y h LEU 26 Ca -0.05 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2a2y h LEU 26 Cb 1.20 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 2a2y h LEU 26 CO 0.10 0.51 -0.13 0.15 0.09 0.00 0.00 178.44 179.16 2a2y h PHE 27 N 0.18 0.00 0.00 1.13 3.57 -1.44 -0.41 116.94 119.97 2a2y h PHE 27 Ca 0.03 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2a2y h PHE 27 Cb 0.64 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 2a2y h PHE 27 CO 0.01 0.13 -0.15 -0.97 -2.23 0.00 0.00 178.31 175.10 2a2y h ASN 28 N 0.00 0.00 0.12 0.41 -1.24 -1.06 -0.49 115.58 113.32 2a2y h ASN 28 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2a2y h ASN 28 Cb 0.37 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.42 2a2y h ASN 28 CO 0.02 0.15 -0.11 0.00 -1.29 0.00 0.00 177.43 176.19 2a2y n GLN 29 N -3.98 1.23 0.00 6.67 6.02 -0.21 -4.87 117.38 122.25 2a2y n GLN 29 Ca -0.02 -0.69 0.00 0.00 -0.01 0.00 0.00 57.00 56.28 2a2y n GLN 29 Cb 0.23 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.01 2a2y n GLN 29 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2a2y n GLY 30 N 1.25 1.32 3.58 1.08 0.00 -0.19 -5.00 105.19 107.23 2a2y n GLY 30 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2a2y n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a2y s ILE 31 N -2.00 3.98 -0.16 -0.61 -1.09 -0.91 -4.30 121.20 116.11 2a2y s ILE 31 Ca 0.00 0.87 0.01 0.00 -2.23 0.00 0.00 60.65 59.30 2a2y s ILE 31 Cb 0.00 -4.70 -0.23 0.00 -1.58 0.00 0.00 42.46 35.96 2a2y s ILE 31 CO 0.00 -1.33 0.18 0.47 -1.23 0.00 0.00 174.94 173.03 2a2y n ASP 32 N 8.59 1.72 -4.79 3.58 9.92 -1.25 -4.06 116.55 130.25 2a2y n ASP 32 Ca 0.09 0.10 -0.37 0.00 -0.53 0.00 0.00 54.79 54.08 2a2y n ASP 32 Cb 0.49 -0.43 -0.06 0.00 -0.64 0.00 0.00 41.12 40.47 2a2y n ASP 32 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2a2y s GLU 33 N -2.54 4.02 -0.13 -1.24 2.02 -1.25 -1.21 118.70 118.37 2a2y s GLU 33 Ca -0.23 0.23 -0.11 0.00 0.02 0.00 0.00 54.97 54.88 2a2y s GLU 33 Cb 0.07 -3.32 0.04 0.00 0.10 0.00 0.00 34.13 31.02 2a2y s GLU 33 CO 0.73 0.48 0.33 0.54 0.02 0.00 0.00 175.26 177.35 2a2y s VAL 34 N -0.32 -0.00 -0.13 2.63 0.11 -0.41 -2.85 120.40 119.43 2a2y s VAL 34 Ca 0.20 0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.28 2a2y s VAL 34 Cb -0.15 -0.47 -0.00 0.00 -1.53 0.00 0.00 36.38 34.23 2a2y s VAL 34 CO 0.08 0.01 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.06 2a2y s ILE 35 N 0.34 2.56 -0.20 7.04 1.01 -0.53 -0.90 121.20 130.52 2a2y s ILE 35 Ca -0.01 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.79 2a2y s ILE 35 Cb -0.03 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.38 2a2y s ILE 35 CO -0.01 0.53 -0.07 -0.76 0.00 0.00 0.00 174.94 174.63 2a2y s LEU 36 N 0.58 2.83 -0.11 2.97 1.02 0.70 0.24 118.68 126.91 2a2y s LEU 36 Ca -0.10 -0.39 -0.03 0.00 0.02 0.00 0.00 54.13 53.63 2a2y s LEU 36 Cb -0.16 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.32 2a2y s LEU 36 CO 0.03 0.02 0.00 -0.54 0.02 0.00 0.00 176.35 175.89 2a2y s LYS 37 N 1.21 3.24 0.05 1.70 1.02 -0.81 -1.90 119.74 124.24 2a2y s LYS 37 Ca 0.02 -0.41 -0.04 0.00 0.02 0.00 0.00 55.97 55.56 2a2y s LYS 37 Cb -0.14 -2.87 -0.02 0.00 -0.52 0.00 0.00 37.83 34.27 2a2y s LYS 37 CO -0.02 0.57 0.05 0.20 -0.92 0.00 0.00 175.35 175.23 2a2y s GLY 38 N -0.51 0.28 0.01 -3.33 0.00 -0.94 -0.51 107.32 102.31 2a2y s GLY 38 Ca 0.09 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 44.04 2a2y s GLY 38 CO 0.02 -0.92 -0.08 -0.51 0.00 0.00 0.00 173.10 171.60 2a2y s THR 39 N -3.08 0.65 0.00 0.90 -4.23 -1.26 -1.59 115.64 107.04 2a2y s THR 39 Ca -0.01 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 2a2y s THR 39 Cb 0.02 -0.59 0.00 0.00 1.34 0.00 0.00 72.50 73.27 2a2y s THR 39 CO -0.07 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 2a2y n GLY 40 N 2.46 0.00 0.07 3.99 0.00 0.11 -0.18 105.19 111.64 2a2y n GLY 40 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 2a2y n GLY 40 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2a2y h ARG 41 N 0.00 0.00 -0.03 1.61 -0.00 -1.95 -3.34 114.38 110.67 2a2y h ARG 41 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 59.98 59.99 2a2y h ARG 41 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 29.97 2a2y h ARG 41 CO 0.00 0.16 0.19 0.93 -0.00 0.00 0.00 179.97 181.25 2a2y h GLU 42 N -1.00 0.00 -0.78 0.08 5.08 -0.83 -1.48 114.58 115.65 2a2y h GLU 42 Ca -0.04 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.49 2a2y h GLU 42 Cb 0.50 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 2a2y h GLU 42 CO -0.02 0.00 0.52 0.97 -1.00 0.00 0.00 179.01 179.48 2a2y h ILE 43 N 0.00 0.75 0.00 3.13 2.10 -1.56 0.67 117.51 122.60 2a2y h ILE 43 Ca 0.02 -0.12 -0.12 0.00 1.08 0.00 0.00 64.86 65.71 2a2y h ILE 43 Cb 0.39 0.36 -0.02 0.00 -1.09 0.00 0.00 36.82 36.46 2a2y h ILE 43 CO -0.00 0.07 -1.06 0.77 -1.08 0.00 0.00 178.15 176.84 2a2y h SER 44 N 0.36 0.00 0.20 2.19 4.64 -1.47 -3.30 113.55 116.16 2a2y h SER 44 Ca 0.39 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.70 2a2y h SER 44 Cb 0.98 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2a2y h SER 44 CO -0.12 0.45 -0.11 0.11 -0.87 0.00 0.00 176.83 176.29 2a2y h LYS 45 N 0.00 -0.28 -0.72 4.77 6.56 -0.94 -0.64 116.57 125.33 2a2y h LYS 45 Ca -0.09 0.02 0.17 0.00 -1.06 0.00 0.00 60.65 59.69 2a2y h LYS 45 Cb 1.42 0.06 -0.13 0.00 -0.57 0.00 0.00 32.23 33.01 2a2y h LYS 45 CO 0.04 -0.19 -0.07 0.00 -2.06 0.00 0.00 179.45 177.18 2a2y n ALA 46 N -2.23 0.28 0.26 3.86 0.00 -0.88 0.22 120.51 122.03 2a2y n ALA 46 Ca -0.04 0.78 -0.10 0.00 0.00 0.00 0.00 53.44 54.08 2a2y n ALA 46 Cb 0.12 -0.52 -0.05 0.00 0.00 0.00 0.00 19.45 19.00 2a2y n ALA 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2a2y h VAL 47 N 0.00 0.00 -0.61 0.00 2.07 -1.52 0.54 116.25 116.72 2a2y h VAL 47 Ca 0.40 -0.02 0.12 0.00 0.82 0.00 0.00 66.70 68.02 2a2y h VAL 47 Cb 0.74 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.39 2a2y h VAL 47 CO -0.70 0.00 -0.24 -0.78 0.02 0.00 0.00 177.57 175.87 2a2y h ASP 48 N -0.69 -0.85 -0.39 0.57 1.82 0.85 0.64 116.42 118.37 2a2y h ASP 48 Ca -0.07 0.21 0.07 0.00 -0.39 0.00 0.00 57.03 56.84 2a2y h ASP 48 Cb 0.52 0.48 -0.09 0.00 0.68 0.00 0.00 39.33 40.91 2a2y h ASP 48 CO 0.11 -0.26 -0.45 0.58 -1.61 0.00 0.00 179.24 177.61 2a2y h VAL 49 N -0.08 0.09 0.62 2.25 2.07 -0.09 1.55 116.25 122.66 2a2y h VAL 49 Ca 0.28 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.77 2a2y h VAL 49 Cb 0.51 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2a2y h VAL 49 CO -0.67 0.00 -0.38 0.22 0.02 0.00 0.00 177.57 176.76 2a2y h TYR 50 N -0.35 -1.00 -0.21 1.57 3.20 0.17 1.11 116.97 121.47 2a2y h TYR 50 Ca 0.12 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.04 2a2y h TYR 50 Cb 0.59 0.36 -0.07 0.00 1.54 0.00 0.00 36.73 39.15 2a2y h TYR 50 CO -0.64 -0.58 -0.25 -0.97 -1.64 0.00 0.00 178.16 174.09 2a2y h ASN 51 N -0.94 -0.79 -0.92 -2.11 -1.24 0.78 2.27 115.58 112.62 2a2y h ASN 51 Ca -0.08 0.14 0.02 0.00 0.71 0.00 0.00 56.30 57.09 2a2y h ASN 51 Cb 0.76 0.36 -0.05 0.00 0.73 0.00 0.00 38.32 40.13 2a2y h ASN 51 CO 0.08 -0.29 0.61 0.77 -1.29 0.00 0.00 177.43 177.31 2a2y h SER 52 N -0.28 1.02 1.22 1.15 4.64 0.25 1.60 113.55 123.15 2a2y h SER 52 Ca 0.12 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.35 2a2y h SER 52 Cb 0.47 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 2a2y h SER 52 CO -0.37 0.72 -0.34 0.25 -0.87 0.00 0.00 176.83 176.23 2a2y h LEU 53 N 1.20 0.00 0.22 5.97 5.85 0.38 -2.70 115.31 126.23 2a2y h LEU 53 Ca 0.35 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.76 2a2y h LEU 53 Cb -0.07 0.00 0.03 0.00 0.37 0.00 0.00 40.66 40.99 2a2y h LEU 53 CO -0.09 0.34 -1.40 0.50 -0.34 0.00 0.00 178.44 177.45 2a2y h LYS 54 N 0.00 0.47 0.00 1.25 3.11 0.53 -2.72 116.57 119.22 2a2y h LYS 54 Ca -0.00 -0.81 0.00 0.00 -2.81 0.00 0.00 60.65 57.02 2a2y h LYS 54 Cb 1.04 0.30 0.00 0.00 -1.00 0.00 0.00 32.23 32.57 2a2y h LYS 54 CO 0.04 1.39 0.04 -3.47 -2.81 0.00 0.00 179.45 174.64 2a2y n ASP 55 N -3.79 0.00 -0.04 4.20 2.03 0.53 0.31 116.55 119.79 2a2y n ASP 55 Ca -0.18 0.32 -0.14 0.00 0.52 0.00 0.00 54.79 55.32 2a2y n ASP 55 Cb 1.05 -0.32 -0.08 0.00 -0.72 0.00 0.00 41.12 41.04 2a2y n ASP 55 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2a2y h ARG 56 N 0.00 0.35 0.00 -0.67 9.65 -1.16 -3.44 114.38 119.11 2a2y h ARG 56 Ca 0.00 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 58.65 2a2y h ARG 56 Cb 0.07 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 2a2y h ARG 56 CO 0.00 0.83 0.00 1.28 2.80 0.00 0.00 179.97 184.88 2a2y n LEU 57 N -4.49 0.00 0.00 3.80 4.77 -0.51 -5.02 117.00 115.56 2a2y n LEU 57 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2a2y n LEU 57 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2a2y n LEU 57 CO 0.40 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2a2y n GLY 58 N 0.00 0.36 0.19 -0.72 0.00 0.15 -4.12 105.19 101.04 2a2y n GLY 58 Ca 0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2a2y n GLY 58 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2a2y h ASP 59 N 0.00 0.78 -0.25 1.61 1.82 -1.95 -3.06 116.42 115.37 2a2y h ASP 59 Ca 0.00 -0.69 -0.08 0.00 -0.39 0.00 0.00 57.03 55.87 2a2y h ASP 59 Cb 0.00 -0.23 -0.05 0.00 0.68 0.00 0.00 39.33 39.73 2a2y h ASP 59 CO 0.00 1.35 0.10 0.61 -1.61 0.00 0.00 179.24 179.69 2a2y n GLY 60 N 0.87 2.38 3.23 -0.78 0.00 -1.26 -4.30 105.19 105.34 2a2y n GLY 60 Ca -0.09 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 2a2y n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a2y s VAL 61 N -1.29 -0.64 0.20 1.61 1.01 -1.16 -3.32 120.40 116.81 2a2y s VAL 61 Ca 0.18 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.39 2a2y s VAL 61 Cb 0.14 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.80 2a2y s VAL 61 CO 0.04 0.06 -0.15 -1.10 0.00 0.00 0.00 175.10 173.96 2a2y s GLN 62 N 2.60 1.32 -0.32 2.72 -1.52 1.06 -4.66 119.66 120.86 2a2y s GLN 62 Ca -0.00 -1.57 -0.17 0.00 -1.95 0.00 0.00 55.36 51.67 2a2y s GLN 62 Cb -0.12 -1.12 -0.02 0.00 -0.22 0.00 0.00 33.01 31.53 2a2y s GLN 62 CO -0.13 0.19 0.45 -1.17 -0.25 0.00 0.00 175.29 174.38 2a2y s LEU 63 N -3.26 4.26 -0.08 2.90 0.20 -1.26 0.29 118.68 121.74 2a2y s LEU 63 Ca 0.22 0.06 0.20 0.00 0.69 0.00 0.00 54.13 55.30 2a2y s LEU 63 Cb -0.01 -2.51 -0.31 0.00 -0.43 0.00 0.00 46.19 42.93 2a2y s LEU 63 CO 0.07 -0.36 0.35 1.33 -0.29 0.00 0.00 176.35 177.44 2a2y n VAL 64 N 5.29 0.39 -3.58 1.68 0.24 -1.26 -4.80 118.33 116.29 2a2y n VAL 64 Ca -0.06 -0.59 -0.07 0.00 -2.04 0.00 0.00 64.34 61.58 2a2y n VAL 64 Cb 0.49 -0.13 -0.04 0.00 -1.47 0.00 0.00 33.84 32.70 2a2y n VAL 64 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2a2y s ASN 65 N -4.73 -0.25 -0.27 -1.34 0.01 -1.26 -4.99 114.94 102.11 2a2y s ASN 65 Ca -0.08 0.17 -0.16 0.00 -0.71 0.00 0.00 52.86 52.08 2a2y s ASN 65 Cb 0.11 0.22 0.08 0.00 0.41 0.00 0.00 41.25 42.08 2a2y s ASN 65 CO 0.86 -0.30 0.67 -0.69 -1.51 0.00 0.00 177.10 176.14 2a2y s VAL 66 N -1.73 -0.00 0.09 1.60 1.01 -1.26 0.76 120.40 120.87 2a2y s VAL 66 Ca 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 2a2y s VAL 66 Cb -0.01 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 2a2y s VAL 66 CO -0.03 0.00 0.04 -1.58 0.00 0.00 0.00 175.10 173.53 2a2y s GLN 67 N 1.54 0.77 0.05 2.72 0.74 0.30 -4.99 119.66 120.80 2a2y s GLN 67 Ca -0.09 -1.25 0.03 0.00 0.05 0.00 0.00 55.36 54.10 2a2y s GLN 67 Cb -0.05 0.25 -0.02 0.00 1.10 0.00 0.00 33.01 34.28 2a2y s GLN 67 CO -0.18 -0.20 -0.10 0.95 -0.55 0.00 0.00 175.29 175.21 2a2y s THR 68 N -3.96 0.78 -0.16 -0.34 -4.23 -1.26 0.13 115.64 106.61 2a2y s THR 68 Ca 0.13 -1.08 -0.31 0.00 -1.18 0.00 0.00 61.69 59.24 2a2y s THR 68 Cb 0.07 -0.79 0.14 0.00 1.34 0.00 0.00 72.50 73.26 2a2y s THR 68 CO -0.06 -0.25 1.10 -0.83 -0.54 0.00 0.00 174.62 174.04 2a2y s GLY 69 N -1.47 -0.26 0.18 3.99 0.00 -0.77 -4.94 107.32 104.05 2a2y s GLY 69 Ca -0.05 1.80 0.04 0.00 0.00 0.00 0.00 44.72 46.50 2a2y s GLY 69 CO 0.01 0.73 0.30 -1.35 0.00 0.00 0.00 173.10 172.79 2a2y s SER 70 N -1.73 6.26 0.08 1.64 1.04 -1.26 -1.15 113.70 118.58 2a2y s SER 70 Ca 0.05 0.11 -0.06 0.00 0.48 0.00 0.00 55.95 56.53 2a2y s SER 70 Cb -0.01 -1.85 -0.02 0.00 0.10 0.00 0.00 66.02 64.24 2a2y s SER 70 CO -0.04 0.01 0.11 -1.83 0.98 0.00 0.00 173.24 172.46 2a2y s GLU 71 N -3.51 0.77 -0.87 4.02 4.04 0.09 -4.89 118.70 118.35 2a2y s GLU 71 Ca 0.34 -1.08 -0.18 0.00 0.04 0.00 0.00 54.97 54.10 2a2y s GLU 71 Cb -0.10 0.29 0.15 0.00 0.02 0.00 0.00 34.13 34.49 2a2y s GLU 71 CO 0.28 -0.21 1.00 0.08 -1.84 0.00 0.00 175.26 174.57 2a2y s VAL 72 N -3.89 4.94 -0.46 1.83 1.01 -1.26 -1.13 120.40 121.45 2a2y s VAL 72 Ca 0.06 -1.72 -0.18 0.00 0.00 0.00 0.00 61.98 60.15 2a2y s VAL 72 Cb 0.06 -4.68 0.04 0.00 0.00 0.00 0.00 36.38 31.80 2a2y s VAL 72 CO -0.10 -1.36 0.51 -0.60 0.00 0.00 0.00 175.10 173.54 2a2y s ARG 73 N 2.11 3.10 0.00 2.72 3.52 0.06 -4.19 118.95 126.26 2a2y s ARG 73 Ca 0.27 -0.86 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 2a2y s ARG 73 Cb -0.08 -4.03 0.00 0.00 -1.56 0.00 0.00 34.95 29.28 2a2y s ARG 73 CO -0.08 -1.01 0.00 -3.47 -0.81 0.00 0.00 175.30 169.94 2a2y n ASP 74 N 5.77 -1.29 -2.08 -2.12 -0.08 -1.26 -3.66 116.55 111.84 2a2y n ASP 74 Ca -0.07 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 53.02 2a2y n ASP 74 Cb 0.46 -0.40 -0.01 0.00 2.34 0.00 0.00 41.12 43.51 2a2y n ASP 74 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2a2y n ARG 75 N -0.63 -1.46 -3.83 -0.67 3.00 -1.26 -4.97 116.66 106.84 2a2y n ARG 75 Ca 0.00 0.89 -0.12 0.00 -0.01 0.00 0.00 57.85 58.61 2a2y n ARG 75 Cb 0.40 -5.41 -0.11 0.00 0.00 0.00 0.00 32.46 27.34 2a2y n ARG 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2a2y s ARG 76 N -4.89 0.33 0.09 5.56 1.81 -1.24 -5.12 118.95 115.49 2a2y s ARG 76 Ca 0.00 -0.01 -0.25 0.00 -1.72 0.00 0.00 55.73 53.75 2a2y s ARG 76 Cb 0.00 0.15 -0.06 0.00 -0.45 0.00 0.00 34.95 34.58 2a2y s ARG 76 CO 0.00 -0.06 0.78 0.50 -0.68 0.00 0.00 175.30 175.84 2a2y s ARG 77 N -0.51 4.53 0.04 3.54 6.06 -1.26 -0.76 118.95 130.59 2a2y s ARG 77 Ca -0.06 1.12 -0.06 0.00 -2.50 0.00 0.00 55.73 54.23 2a2y s ARG 77 Cb -0.04 -3.33 -0.01 0.00 0.06 0.00 0.00 34.95 31.63 2a2y s ARG 77 CO 0.01 0.37 0.10 -1.50 -2.50 0.00 0.00 175.30 171.78 2a2y s ILE 78 N -0.40 0.14 0.32 4.11 2.07 -0.28 -4.90 121.20 122.25 2a2y s ILE 78 Ca 0.38 -1.15 -0.07 0.00 -1.41 0.00 0.00 60.65 58.40 2a2y s ILE 78 Cb -0.21 -0.99 -0.06 0.00 0.13 0.00 0.00 42.46 41.33 2a2y s ILE 78 CO 0.24 -0.64 0.61 -0.94 -1.91 0.00 0.00 174.94 172.31 2a2y s SER 79 N -2.26 6.48 0.01 4.50 1.04 -1.26 -0.73 113.70 121.48 2a2y s SER 79 Ca -0.03 0.84 -0.05 0.00 0.48 0.00 0.00 55.95 57.19 2a2y s SER 79 Cb 0.00 -2.20 -0.01 0.00 0.10 0.00 0.00 66.02 63.92 2a2y s SER 79 CO -0.06 -0.24 0.10 -0.72 0.98 0.00 0.00 173.24 173.30 2a2y s TYR 80 N -2.14 0.12 -0.06 5.02 -0.85 -0.30 0.05 117.35 119.18 2a2y s TYR 80 Ca 0.46 -0.29 0.04 0.00 -0.52 0.00 0.00 57.07 56.77 2a2y s TYR 80 Cb -0.11 -0.10 -0.00 0.00 0.38 0.00 0.00 41.96 42.14 2a2y s TYR 80 CO 0.30 -0.28 -0.19 -1.50 -1.52 0.00 0.00 175.55 172.36 2a2y s ILE 81 N -1.64 1.58 -0.17 -3.49 2.07 -0.62 -1.84 121.20 117.10 2a2y s ILE 81 Ca -0.13 -0.78 -0.05 0.00 -1.41 0.00 0.00 60.65 58.28 2a2y s ILE 81 Cb -0.07 -1.37 -0.03 0.00 0.13 0.00 0.00 42.46 41.12 2a2y s ILE 81 CO -0.00 0.45 -0.01 -0.76 -1.91 0.00 0.00 174.94 172.71 2a2y s LEU 82 N 0.15 3.37 -0.04 8.50 1.43 0.34 -2.22 118.68 130.21 2a2y s LEU 82 Ca -0.08 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 2a2y s LEU 82 Cb -0.14 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.28 2a2y s LEU 82 CO 0.04 0.14 -0.00 -0.22 0.23 0.00 0.00 176.35 176.54 2a2y s LEU 83 N 0.53 1.01 0.36 1.79 0.20 -0.80 -0.54 118.68 121.23 2a2y s LEU 83 Ca -0.01 -0.04 0.07 0.00 0.69 0.00 0.00 54.13 54.84 2a2y s LEU 83 Cb -0.14 -0.28 -0.02 0.00 -0.43 0.00 0.00 46.19 45.32 2a2y s LEU 83 CO 0.02 -0.12 0.36 -0.60 -0.29 0.00 0.00 176.35 175.72 2a2y s ARG 84 N 1.25 2.76 -0.24 1.98 3.52 0.23 -0.22 118.95 128.23 2a2y s ARG 84 Ca -0.06 -1.29 -0.20 0.00 -0.13 0.00 0.00 55.73 54.05 2a2y s ARG 84 Cb -0.13 -2.53 0.07 0.00 -1.56 0.00 0.00 34.95 30.79 2a2y s ARG 84 CO -0.02 0.01 0.64 -1.17 -0.81 0.00 0.00 175.30 173.95 2a2y s LEU 85 N -4.07 -0.54 -0.06 -0.88 2.96 -0.08 -4.13 118.68 111.88 2a2y s LEU 85 Ca 0.44 1.32 0.05 0.00 -0.22 0.00 0.00 54.13 55.71 2a2y s LEU 85 Cb -0.06 2.18 -0.02 0.00 0.50 0.00 0.00 46.19 48.79 2a2y s LEU 85 CO 0.28 -0.22 -0.20 -0.75 -1.32 0.00 0.00 176.35 174.13 2a2y s LYS 86 N 0.71 2.55 0.07 1.98 2.36 0.85 -1.29 119.74 126.98 2a2y s LYS 86 Ca -0.03 -0.81 -0.10 0.00 -2.55 0.00 0.00 55.97 52.47 2a2y s LYS 86 Cb -0.05 -2.27 -0.06 0.00 -1.05 0.00 0.00 37.83 34.40 2a2y s LYS 86 CO -0.05 0.48 0.40 1.03 1.55 0.00 0.00 175.35 178.75 2a2y s ARG 87 N -0.37 3.77 0.00 4.03 1.81 -0.35 0.35 118.95 128.18 2a2y s ARG 87 Ca 0.03 0.19 0.00 0.00 -1.72 0.00 0.00 55.73 54.24 2a2y s ARG 87 Cb -0.12 -3.02 0.00 0.00 -0.45 0.00 0.00 34.95 31.35 2a2y s ARG 87 CO 0.02 0.58 0.14 0.28 -0.68 0.00 0.00 175.30 175.64 2a2y n VAL 88 N 1.02 0.00 -0.54 3.52 0.31 -1.21 -4.87 118.33 116.56 2a2y n VAL 88 Ca -0.09 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2a2y n VAL 88 Cb 0.52 1.06 0.00 0.00 -0.91 0.00 0.00 33.84 34.52 2a2y n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51